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- In this paper, first-principles calculations within the generalized gradient approximation (GGA) are carried out on the band gaps of zigzag SWNTs (7, 0) (8, 0) (9, 0) and (12, 0). 摘要本文采用基于广义梯度近似(GGA)的第一性原理方法，对锯齿型单壁破纳米管(7,0)、(8,0)、(9,0)、(12,0)的能带结构和能隙进行理论计算。
- The adsorption of Cl_2 molecule on CuCl(111) surface has been studied with periodic slab model by Perdew-Burke-Ernzerh (PBE) approach of the generalized gradient approximation (GGA) within the framework of density functional theory (DFT). 运用广义梯度密度泛函理论(Generalized Gradient Approximation,GGA)的PBE(Perdew-Burke-Ernzerh)方法结合周期性平板模型,研究了氯气分子和氯原子在CuCl(111)表面上的吸附。
- In this paper, using the first principles method which base on density function theory(DFT), we calculated the structures and electronic properties of ground states of (CdSe)_n and (HgTe)_n(n=1~7) clusters with the generalized gradient approximation(GGA). 本文采用基于密度泛函理论的第一性原理方法,在GGA 下,计算了团簇(CdSe)_n 和(HgTe)_n n=1 到7 的基态几何结构、态密度、结合能及能隙等。
- The geometric structures and the electronic properties of C_(60)(CF_3)_n(n=2, 4, 6, 10) are studied using the generalized gradient approximation (GGA) based on the density functional theory (DFT). 采用密度泛函理论中的广义梯度近似，探讨了富勒烯衍生物C_(60)(CF_3)_n(n=2、4、6、10)的几何结构和电子性质。
- The main contents are organized as the following:(1) Adsorption of methanol on (111) surface of coinage has been investigated by DFT method, at the generalized gradient approximation (GGA) level. 具体研究内容及其结果如下:1采用密度泛函理论(DFT)和广义梯度积分(GGA)的方法,对甲醇在Cu(111),Ag(111)和Au(111)面四种位置(top, bridge, hcp, fcc)的吸附和解离行为进行研究。
- Their common basis in MDA will also promote partial generation of implementation code, but that code, of course, will not be standardized. MDA的公共基础也会促进部分代码的生成和实现,当然这些代码不是标准化的。
- In host rearing and field investigation, the bug occurs two generations in Beijing in a year and both are partial generations. 茶翅蝽饲养及田间寄生调查结果表明：茶翅蝽在北京地区一年发生2代，且都是局部世代。
- Partial generalized choroidal dystrophy 部分性泛发性脉络膜变性
- A new silhouette detection method,an approach using extremum of first directional derivative,is proposed based upon a general gradient model. 在虚拟现实中矿井物体轮廓是很重要的特征。
- Generalized Gradient And Super-Efficient Solution 广义梯度与超有效解
- generalized gradient approximation 广义梯度近似
- The research project was only a partial success. 那个研究课题只取得部分成功。
- generalized gradient development 梯度推移
- The menu option "Adjustments" is only partially generally accessible. 菜单功能“调整”只有部分能够进入。
- generalized gradient projection algorithm 广义投影梯度算法
- super effcient generalized gradient 超有效广义梯度
- She is partial to her youngest boy. 她偏爱她的小儿子。
- The film was only a partial success. 这部电影仅仅是部分成功。
- She's very partial to sweet foods. 她特别喜欢吃甜食。
- I'm very partial to sweet foods. 我非常偏爱甜食。
